3-N-(methoxymethyl)-1-N,1-N-dimethylpentane-1,3-diamine;molecular hydrogen

C9H24N2O — CID 143693778

IUPAC3-N-(methoxymethyl)-1-N,1-N-dimethylpentane-1,3-diamine;molecular hydrogen
SMILESCCC(CCN(C)C)NCOC.[H][H]
InChIInChI=1S/C9H22N2O.H2/c1-5-9(10-8-12-4)6-7-11(2)3;/h9-10H,5-8H2,1-4H3;1H
InChIKeyABDNMXYUDSXBNN-UHFFFAOYSA-N
MW176.30 g/mol
LogP1.16
Rot. Bonds7

About 3-N-(methoxymethyl)-1-N,1-N-dimethylpentane-1,3-diamine;molecular hydrogen

3-N-(methoxymethyl)-1-N,1-N-dimethylpentane-1,3-diamine;molecular hydrogen (PubChem CID 143693778) has the molecular formula C9H24N2O and a molecular weight of 176.30 g/mol. Its IUPAC name is 3-N-(methoxymethyl)-1-N,1-N-dimethylpentane-1,3-diamine;molecular hydrogen.

Molecular Properties

Compound Name3-N-(methoxymethyl)-1-N,1-N-dimethylpentane-1,3-diamine;molecular hydrogen
PubChem CID143693778
Molecular FormulaC9H24N2O
Molecular Weight176.30 g/mol
Exact Mass176.19
IUPAC Name3-N-(methoxymethyl)-1-N,1-N-dimethylpentane-1,3-diamine;molecular hydrogen
SMILESCCC(CCN(C)C)NCOC.[H][H]
InChIInChI=1S/C9H22N2O.H2/c1-5-9(10-8-12-4)6-7-11(2)3;/h9-10H,5-8H2,1-4H3;1H
InChIKeyABDNMXYUDSXBNN-UHFFFAOYSA-N
XLogP1.16
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3-N-(methoxymethyl)-1-N,1-N-dimethylpentane-1,3-diamine;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-N-(methoxymethyl)-1-N,1-N-dimethylpentane-1,3-diamine;molecular hydrogen?
The IUPAC name of 3-N-(methoxymethyl)-1-N,1-N-dimethylpentane-1,3-diamine;molecular hydrogen (CID 143693778) is 3-N-(methoxymethyl)-1-N,1-N-dimethylpentane-1,3-diamine;molecular hydrogen.
What is the SMILES notation for 3-N-(methoxymethyl)-1-N,1-N-dimethylpentane-1,3-diamine;molecular hydrogen?
The canonical SMILES for 3-N-(methoxymethyl)-1-N,1-N-dimethylpentane-1,3-diamine;molecular hydrogen is CCC(CCN(C)C)NCOC.[H][H].
What is the InChIKey of 3-N-(methoxymethyl)-1-N,1-N-dimethylpentane-1,3-diamine;molecular hydrogen?
The InChIKey is ABDNMXYUDSXBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O.H2/c1-5-9(10-8-12-4)6-7-11(2)3;/h9-10H,5-8H2,1-4H3;1H.
What are the key properties of 3-N-(methoxymethyl)-1-N,1-N-dimethylpentane-1,3-diamine;molecular hydrogen?
3-N-(methoxymethyl)-1-N,1-N-dimethylpentane-1,3-diamine;molecular hydrogen has a molecular weight of 176.30 g/mol, XLogP of 1.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(methoxymethyl)-1-N,1-N-dimethylpentane-1,3-diamine;molecular hydrogen is sourced from PubChem (CID 143693778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).